| CAS Number | 201595-65-5 |
| Catalog Number | AG002DIJ(AGN-PC-0QSADS) |
| Chemical Name | D-Fructose-1,2,3,4,5,6-13C6 |
| IUPAC Name | (3S,4R,5R)-2-(hydroxy(113C)methyl)(2,3,4,5,6-13C5)oxane-2,3,4,5-tetrol |
| InChI | InChI=1S/C6H10O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1H2/t3-,4-,5+,6?/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1 |
| InChI Key | XZMOJGFCPPIHMS-TXOLJYCISA-N |
| MDL Number | MFCD00144075 |
| Molecular Formula | C6H12O6 |
| Molecular Weight | 186.1118 |
| SMILES | O[13CH2][13C@@H](O)[13C@@H](O)[13C@H](O)[13C]([13CH2]O)=O |
| Synonyms | 201595-65-5,
D-fructose-U-13C6,
CTK8F9105,
D-Fructose-1,2,3,4,5,6-13C6,
D-Fructose-13C6,
D-[Ul-13c6]fructose,
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| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.067867g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 6 |
| Molecular Weight | 184.1g/mol |
| Monoisotopic Mass | 184.067867g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 110Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number